N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-2-methyl-propanamide

Systemtic Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-2-methyl-propanamide Openeye Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-2-methyl-propanamide CAS Name: N-[(2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-2-methylpropanamide IUPAC Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-2-methylpropanamide Traditional Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-2-methyl-propionamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC(C1=CN=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C(=O)NC[C@H](C1=CN=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H30N4O2/c1-17(2)22(27)24-16-21(18-5-4-10-23-15-18)26-13-11-25(12-14-26)19-6-8-20(28-3)9-7-19/h4-10,15,17,21H,11-14,16H2,1-3H3,(H,24,27)/p+1/t21-/m1/s1